Detailed information for compound 1490433

Basic information

Technical information
  • TDR Targets ID: 1490433
  • Name: 7-amino-6-methoxy-2-methylquinoline-5,8-dione
  • MW: 218.209 | Formula: C11H10N2O3
  • H donors: 1 H acceptors: 3 LogP: 0.82 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC1=C(N)C(=O)c2c(C1=O)ccc(n2)C
  • InChi: 1S/C11H10N2O3/c1-5-3-4-6-8(13-5)10(15)7(12)11(16-2)9(6)14/h3-4H,12H2,1-2H3
  • InChiKey: FKAAKWCKLUDXOB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-amino-6-methoxy-2-methyl-quinoline-5,8-dione
  • 7-amino-6-methoxy-2-methyl-quinoline-5,8-quinone
  • 61895-38-3
  • NCI60_000718
  • NCIMech_000081
  • NSC 132493
  • 7-Amino-6-methoxy-2-methyl-5,8-quinolinedione
  • 5,8-Quinolinedione, 7-amino-6-methoxy-2-methyl-
  • AIDS126922
  • NSC132493
  • AIDS-126922

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Wolf-Hirschhorn syndrome candidate 1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens DNA (cytosine-5-)-methyltransferase 1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Plasmodium berghei glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase, putative Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) kappa Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase Get druggable targets OG5_127121 All targets in OG5_127121
Candida albicans likely glucose-6-phosphate dehydrogenase similar to S. cerevisiae ZWF1 (YNL241C) Get druggable targets OG5_127121 All targets in OG5_127121
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi polk-prov protein Get druggable targets OG5_127393 All targets in OG5_127393
Neospora caninum Glucose-6-phosphate 1-dehydrogenase (EC 1.1.1.49), related Get druggable targets OG5_127121 All targets in OG5_127121
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Plasmodium yoelii Glucose-6-phosphate dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma congolense glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Leishmania mexicana glucose-6-phosphate dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Echinococcus granulosus histone lysine N methyltransferase NSD3 Get druggable targets OG5_130029 All targets in OG5_130029
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Echinococcus multilocularis histone lysine N methyltransferase NSD3 Get druggable targets OG5_130029 All targets in OG5_130029
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania major DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium berghei glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania infantum DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania donovani DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase kappa Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) Get druggable targets OG5_127121 All targets in OG5_127121
Giardia lamblia DINP protein human, muc B family Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Schistosoma mansoni SET domain protein Get druggable targets OG5_130029 All targets in OG5_130029
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania donovani glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania braziliensis DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Candida albicans likely glucose-6-phosphate dehydrogenase similar to S. cerevisiae ZWF1 (YNL241C) Get druggable targets OG5_127121 All targets in OG5_127121
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase Get druggable targets OG5_127121 All targets in OG5_127121
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein Get druggable targets OG5_127393 All targets in OG5_127393
Echinococcus multilocularis dna polymerase kappa Get druggable targets OG5_127393 All targets in OG5_127393
Brugia malayi glucose-6-phosphate dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Leishmania braziliensis DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trichomonas vaginalis 6-phosphogluconolactonase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Theileria parva glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Treponema pallidum glucose-6-phosphate 1-dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Glucose-6-phosphate 1-dehydrogenase (EC 1.1.1.49), related Get druggable targets OG5_127121 All targets in OG5_127121
Schistosoma japonicum expressed protein Get druggable targets OG5_130029 All targets in OG5_130029
Schistosoma japonicum Histone-lysine N-methyltransferase NSD3, putative Get druggable targets OG5_130029 All targets in OG5_130029
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K05302 histone-lysine N-methyltransferase [EC2.1.1.43], putative Get druggable targets OG5_130029 All targets in OG5_130029
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum protein with 4 PHD domains plus a SET domain and associated cysteine cluster at the C-terminus Get druggable targets OG5_130029 All targets in OG5_130029
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania infantum DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania mexicana DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K00036 glucose-6-phosphate 1-dehydrogenase [EC1.1.1.49], putative Get druggable targets OG5_127121 All targets in OG5_127121
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) Get druggable targets OG5_127393 All targets in OG5_127393
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_130029 All targets in OG5_130029
Leishmania donovani DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis DNA polymerase IV / kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Leishmania mexicana DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Schistosoma japonicum ko:K03511 DNA polymerase kappa subunit, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium ulcerans DNA polymerase IV Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium ulcerans DNA polymerase IV Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trichomonas vaginalis DNA polymerase eta, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium knowlesi glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Trypanosoma congolense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium tuberculosis Probable DNA polymerase IV DinX (pol IV 1) (DNA nucleotidyltransferase (DNA-directed)) Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0894 1 1
Trypanosoma cruzi prolyl endopeptidase 0.0071 0.0404 0.131
Echinococcus granulosus dna polymerase kappa 0.0096 0.0699 0.0663
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0071 0.0404 1
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0308 0.3172 0.5
Toxoplasma gondii hypothetical protein 0.0071 0.0404 0.0809
Trypanosoma cruzi oligopeptidase b 0.0071 0.0404 0.131
Trichomonas vaginalis DNA polymerase eta, putative 0.0096 0.0699 0.4894
Trypanosoma cruzi DNA polymerase eta, putative 0.0051 0.0168 0.0545
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0072 0.0418 0.1225
Echinococcus granulosus inhibitor of apoptosis protein 0.0065 0.0335 0.0297
Trypanosoma brucei DNA polymerase IV, putative 0.0096 0.0699 0.2028
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0113 0.089 0.2889
Loa Loa (eye worm) hypothetical protein 0.0071 0.0404 0.0356
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0123 0.1007 1
Echinococcus multilocularis disco interacting protein 2 0.0047 0.012 0.0081
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0065 0.0335 0.0297
Loa Loa (eye worm) hypothetical protein 0.0052 0.0184 0.0135
Echinococcus granulosus disco interacting protein 2 0.0047 0.012 0.0081
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0301 0.3082 1
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0074 0.0435 0.0916
Trypanosoma brucei DNA polymerase kappa, putative 0.0096 0.0699 0.2028
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0071 0.0404 0.0366
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0074 0.0435 0.0113
Giardia lamblia DINP protein human, muc B family 0.0072 0.0418 0.023
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0071 0.0404 0.0366
Echinococcus multilocularis dna polymerase eta 0.0095 0.0683 0.0647
Brugia malayi prolyl oligopeptidase family protein 0.0071 0.0404 0.0356
Trypanosoma brucei prolyl endopeptidase 0.0071 0.0404 0.104
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0113 0.089 0.0855
Brugia malayi Disco-interacting protein 2 homolog 0.0047 0.012 0.0071
Schistosoma mansoni hypothetical protein 0.0065 0.0335 0.0297
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0096 0.0699 0.4894
Brugia malayi ImpB/MucB/SamB family protein 0.0095 0.0683 0.0637
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0308 0.3172 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.0301 0.3082 0.3055
Leishmania major DNA polymerase eta, putative 0.0095 0.0683 0.1768
Brugia malayi polk-prov protein 0.0052 0.0184 0.0135
Trypanosoma cruzi DNA polymerase kappa, putative 0.0096 0.0699 0.2268
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0113 0.089 0.2668
Trypanosoma brucei DNA polymerase kappa, putative 0.0052 0.0186 0.0311
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0071 0.0404 0.0366
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0308 0.3172 1
Loa Loa (eye worm) hypothetical protein 0.023 0.2256 0.2217
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0123 0.1007 1
Mycobacterium tuberculosis Probable peptidase 0.0071 0.0404 0.1181
Brugia malayi prolyl oligopeptidase family protein 0.0071 0.0404 0.0356
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0894 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0096 0.0699 0.2028
Entamoeba histolytica prolyl oligopeptidase family protein 0.0071 0.0404 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0064 0.0325 0.0287
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0301 0.3082 0.3055
Echinococcus multilocularis inhibitor of apoptosis protein 0.0065 0.0335 0.0297
Brugia malayi prolyl oligopeptidase family protein 0.0301 0.3082 0.3047
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0064 0.0325 0.0277
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0071 0.0404 0.104
Trypanosoma brucei prolyl oligopeptidase, putative 0.0071 0.0404 0.104
Echinococcus multilocularis cpg binding protein 0.004 0.0049 0.001
Loa Loa (eye worm) hypothetical protein 0.0071 0.0404 0.0356
Toxoplasma gondii prolyl endopeptidase 0.0071 0.0404 0.0809
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0894 1 1
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0065 0.0335 0.0287
Schistosoma mansoni inhibitor of apoptosis protein 0.0065 0.0335 0.0297
Trypanosoma cruzi DNA polymerase kappa, putative 0.0096 0.0699 0.2268
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0894 1 1
Brugia malayi prolyl oligopeptidase family protein 0.0071 0.0404 0.0356
Trypanosoma brucei oligopeptidase b 0.0071 0.0404 0.104
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0113 0.089 0.0845
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0071 0.0404 0.1181
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0308 0.3172 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0301 0.3082 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0335 0.0287
Onchocerca volvulus Prolyl endopeptidase homolog 0.0071 0.0404 0.0356
Echinococcus granulosus cpg binding protein 0.004 0.0049 0.001
Trypanosoma brucei DNA polymerase kappa, putative 0.0096 0.0699 0.2028
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0065 0.0335 0.0297
Mycobacterium tuberculosis Conserved hypothetical protein 0.0064 0.0325 0.0929
Trypanosoma brucei DNA polymerase kappa, putative 0.0096 0.0699 0.2028
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0404 0.131
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0301 0.3082 1
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0065 0.0335 0.0287
Echinococcus granulosus prolyl endopeptidase 0.0071 0.0404 0.0366
Trypanosoma brucei DNA polymerase kappa, putative 0.0096 0.0699 0.2028
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0113 0.089 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.0071 0.0404 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0072 0.0418 0.0856
Trypanosoma brucei DNA polymerase kappa, putative 0.0052 0.0184 0.0304
Loa Loa (eye worm) hypothetical protein 0.0095 0.0683 0.0637
Entamoeba histolytica hypothetical protein, conserved 0.0071 0.0404 1
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0123 0.1007 0.218
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0071 0.0404 0.5
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0071 0.0404 0.0809
Brugia malayi hypothetical protein 0.023 0.2256 0.2217
Echinococcus multilocularis acylamino acid releasing enzyme 0.0071 0.0404 0.0366
Trypanosoma cruzi DNA polymerase kappa, putative 0.0096 0.0699 0.2268
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0071 0.0404 0.104
Trypanosoma brucei DNA polymerase kappa, putative 0.0096 0.0699 0.2028
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0064 0.0325 0.0287
Mycobacterium ulcerans DNA polymerase IV 0.0096 0.0699 0.1067
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0404 0.131
Entamoeba histolytica deoxycytidyl transferase, putative 0.0064 0.0325 0.7801
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0301 0.3082 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.012 0.0071
Trypanosoma brucei DNA polymerase IV, putative 0.0088 0.0606 0.1717
Trypanosoma brucei unspecified product 0.0088 0.0606 0.1717
Loa Loa (eye worm) prolyl oligopeptidase 0.0894 1 1
Onchocerca volvulus 0.0047 0.012 0.0071
Trypanosoma brucei DNA polymerase kappa, putative 0.0052 0.0184 0.0304
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0308 0.3172 1
Echinococcus granulosus dna polymerase eta 0.0095 0.0683 0.0647
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0113 0.089 0.0855
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0071 0.0404 0.0809
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0301 0.3082 1
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0123 0.1007 0.218
Schistosoma mansoni DNA polymerase eta 0.0095 0.0683 0.0647
Trypanosoma brucei DNA polymerase kappa, putative 0.0052 0.0186 0.0311
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0308 0.3172 1
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0113 0.089 0.1758
Schistosoma mansoni cpg binding protein 0.004 0.0049 0.001
Loa Loa (eye worm) prolyl oligopeptidase 0.0071 0.0404 0.0356
Loa Loa (eye worm) hypothetical protein 0.0065 0.0335 0.0287
Trypanosoma brucei DNA polymerase kappa, putative 0.0096 0.0699 0.2028
Trypanosoma brucei DNA polymerase IV, putative 0.0096 0.0699 0.2028
Trypanosoma brucei DNA polymerase kappa, putative 0.0052 0.0186 0.0311
Mycobacterium ulcerans DNA polymerase IV 0.0096 0.0699 0.1067
Trypanosoma brucei DNA polymerase kappa, putative 0.0096 0.0699 0.2028
Schistosoma mansoni cpg binding protein 0.004 0.0049 0.001
Trypanosoma brucei DNA polymerase eta, putative 0.0095 0.0683 0.1975
Echinococcus multilocularis prolyl endopeptidase 0.0071 0.0404 0.0366
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0301 0.3082 0.3055
Trypanosoma brucei DNA polymerase kappa, putative 0.0072 0.0418 0.1086
Trypanosoma cruzi DNA polymerase kappa, putative 0.0096 0.0699 0.2268
Leishmania major DNA polymerase kappa, putative 0.0072 0.0418 0.0856
Onchocerca volvulus Deterin homolog 0.0065 0.0335 0.0287
Brugia malayi ImpB/MucB/SamB family protein 0.0064 0.0325 0.0277
Brugia malayi glucose-6-phosphate dehydrogenase 0.0113 0.089 0.0845
Schistosoma mansoni cpg binding protein 0.004 0.0049 0.001
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0301 0.3082 1
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0071 0.0404 0.131
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0123 0.1007 0.288
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0071 0.0404 0.131
Trypanosoma cruzi DNA polymerase eta, putative 0.0095 0.0683 0.2217
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0123 0.1007 1
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0113 0.089 0.0855
Entamoeba histolytica prolyl oligopeptidase family protein 0.0071 0.0404 1
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0308 0.3172 1
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0065 0.0335 0.0297
Echinococcus multilocularis dna polymerase kappa 0.0096 0.0699 0.0663
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0123 0.1007 1
Leishmania major oligopeptidase b 0.0071 0.0404 0.0809
Trypanosoma brucei DNA polymerase kappa, putative 0.0096 0.0699 0.2028
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0308 0.3172 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0064 0.0325 0.0287
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0071 0.0404 1
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0047 0.012 0.0081
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0102 0.0769 0.1319
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0071 0.0404 0.0366
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0071 0.0404 0.0809
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0064 0.0325 0.0287
Trypanosoma cruzi oligopeptidase b 0.0071 0.0404 0.131
Onchocerca volvulus 0.0065 0.0335 0.0287
Toxoplasma gondii hypothetical protein 0.0102 0.0769 0.2062
Echinococcus granulosus acylamino acid releasing enzyme 0.0071 0.0404 0.0366
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0037 0.0013 0.0041
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0113 0.089 0.2479
Loa Loa (eye worm) hypothetical protein 0.0071 0.0404 0.0356

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) 0.61 uM PubChem BioAssay. Development of Small Molecule Probes of the Histone Methyltransferase, NSD2 Measured in Biochemical System Using Plate Reader - 7053-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.832 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.752 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.74 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.72 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.663 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.532 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.002 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 4.94 uM PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescent Molecular Beacon assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 6.3 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase via a fluorescence intensity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] ChEMBL. No reference
IC50 (functional) = 59.6 uM PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectivity Assay for Inhibitors of Plasmodium falciparum Glucose-6-Phosphate Dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] ChEMBL. No reference
IC50 (functional) > 80 uM PUBCHEM_BIOASSAY: Dose Response orthogonal assay utilizing the direct end-point detection of NADPH for uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] ChEMBL. No reference
IC50 (functional) > 80 uM PUBCHEM_BIOASSAY: Dose Response orthogonal kinetic assay utilizing the direct detection of NADPH for uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 18.8876 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Kappa: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Iota: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.9341 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 30.1313 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 42.2841 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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